AG00IA7O

5731-18-0 | 3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-

AG00IA7O

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CAS Number	5731-18-0
Catalog Number	AG00IA7O(AGN-PC-0K6A4S)
Chemical Name	3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-
IUPAC Name	1-benzylpyrrolidine-3-carboxylic acid
InChI	InChI=1S/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChI Key	RLRDUQNUBMAYDS-UHFFFAOYSA-N
MDL Number	MFCD03790980
Molecular Formula	C12H15NO2
Molecular Weight	205.2530
SMILES	O=C(C1CN(CC2=CC=CC=C2)CC1)O
Synonyms	5731-18-0, 1-benzylpyrrolidine-3-carboxylic Acid, 1-Benzyl-pyrrolidine-3-carboxylic acid, N-Benzyl-3-pyrrolidinecarboxylic acid, 1-Benzyl-DL-beta-proline, 3-PYRROLIDINECARBOXYLIC ACID, 1-(PHENYLMETHYL)-, N-Benzyl-3-pyrrolidinecarboxylicacid, 1-Benzyl-?-proline, PubChem11129, ACMC-209fmm, ACMC-209dn2, AC1NEH79, AC1Q74NW, SCHEMBL250506, CTK1G9339, DTXSID80404946, RLRDUQNUBMAYDS-UHFFFAOYSA-N, CS-D0749, ANW-53969, MFCD03790980, RW3001, SBB053377, N-benzylpyrrolidine 3-carboxylic acid, AKOS005067521, AB16181, CB-1824, LS20239, MCULE-1583989298, QC-2019, RP26175, RP26176, VP60256, AC-22522, AS-36341, BC202149, EN001187, SC-12038, SC-22198, AB0031577, DB-011326, TC-063254, TL8003693, 4CH-002398, 4CH-017565, 4CH-017566, BB 0259883, FT-0677586, ST24037806, X4713, (r/s)-1-benzyl-pyrrolidine-3-carboxylic acid, 3-Pyrrolidinecarboxylicacid,1-(phenylmethyl)-, 3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, A-6529, B50550, 731B180, 1-Benzyl-pyrrolidine-3-carboxylic acid, AldrichCPR, I11-0137, J-504329, I14-15016, F1967-2921, (R)-1-benzylpyrrolidine-3-carboxylic acid, (R)-1-N-Benzyl-beta-proline, C12H15NO2, (S)-1-BENZYL-PYRROLIDINE-3-CARBOXYLIC ACID, 1-Benzyl-pyrrolidine-3-carboxylicacid, CID4617348, (R)-1-Benzyl-pyrrolidine-3-carboxylic acid, A8172, 216311-57-8, 161659-80-9, 18621-18-6,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.257g/mol
Monoisotopic Mass	205.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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